| CAS Number | 1000524-74-2 |
| Catalog Number | AG01A24W |
| Chemical Name | 2-[4-(difluoromethyl)phenyl]acetic acid |
| IUPAC Name | 2-[4-(difluoromethyl)phenyl]acetic acid |
| InChI | InChI=1S/C9H8F2O2/c10-9(11)7-3-1-6(2-4-7)5-8(12)13/h1-4,9H,5H2,(H,12,13) |
| InChI Key | BZFPRXKQMXOTCW-UHFFFAOYSA-N |
| MDL Number | MFCD09925293 |
| Molecular Formula | C9H8F2O2 |
| Molecular Weight | 186.1554 |
| SMILES | O=C(O)CC1=CC=C(C(F)F)C=C1 |
| Synonyms | 2-[4-(difluoromethyl)phenyl]acetic acid,
1000524-74-2,
SCHEMBL19551784,
ZINC44375540,
AKOS006314699,
MCULE-6212563880,
NE44844,
|
| Complexity | 175 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.158g/mol |
| Monoisotopic Mass | 186.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number